CID 167725119

2919940-86-4

Structural Information

Molecular Formula
C12H16O
SMILES
CC1([C@@H](C[C@@H]1O)C2=CC=CC=C2)C
InChI
InChI=1S/C12H16O/c1-12(2)10(8-11(12)13)9-6-4-3-5-7-9/h3-7,10-11,13H,8H2,1-2H3/t10-,11-/m0/s1
InChIKey
UZUANIOBIRRNEA-QWRGUYRKSA-N
Compound name
trans-(1S,3S)-2,2-dimethyl-3-phenylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 137.1
[M+Na]+ 199.109338 144.2
[M-H]- 175.112844 143.0
[M+NH4]+ 194.153943 152.6
[M+K]+ 215.083278 144.3
[M+H-H2O]+ 159.117380 127.5
[M+HCOO]- 221.118321 157.8
[M+CH3COO]- 235.133971 183.1
[M+Na-2H]- 197.094786 142.7
[M]+ 176.11957142 144.6
[M]- 176.12066858 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.